SCHEMBL18133228

SCHEMBL18133228

NN(Cc1ccco1)c1cc[nH]c(=O)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.42
▸ PKM P14618 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ALOX5 P09917 1/20 0.41
▸ DNMT1 P26358 1/20 0.39
▸ PNP P00491 1/20 0.39
▸ KDM4A O75164 1/20 0.38
▸ KDM4B O94953 1/20 0.38
▸ KDM5C P41229 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ EPHX2 P34913 3/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2460338 0.72 KMT2A (0.55) KMT2APKMMEN1HSD17B10DNMT1
SCHEMBL4595438 0.70 ALDH1A1 (0.31) KDM4E
SCHEMBL27892897 0.68 ALOX5 (0.49) KMT2AALOX5KDM4EHTT
SCHEMBL1033160 0.64 ADORA2A (0.34) KMT2AKDM4E
SCHEMBL8840862 0.64 DYRK1A (0.32) —
SCHEMBL10965948 0.64 ADORA2A (0.45) KMT2APKMMEN1HSD17B10KDM5B
SCHEMBL11318605 0.64 GAA (0.49) KMT2AMEN1HSD17B10ALOX5KDM4E
SCHEMBL2115053 0.63 NCF1 (0.41) KMT2AMEN1KDM4E
SCHEMBL31441038 0.63 PARP1 (0.33) KMT2AHSD17B10KDM4E
SCHEMBL5931188 0.63 — —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225228-B1 METHOD OF OBTAINING OF 4-N-FURFURYLCYTOSINE AND/OR ITS DERIVATIVES, AN ANTI-AGING COMPOSITION AND USE OF 4-N-FURFURYLCYTOSINE AND/OR ITS DERIVATIVES IN THE MANUFACTURE OF ANTI-AGING COMPOSITION INST CHEMII BIOORG PAN (PL) 2016-10-12 — — EP disclosed
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